AC1NQNVM

dimethyl 2-[3-[8'-(azocane-1-carbonyl)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-5-yl]prop-2-ynyl]propanedioate

Also Known As: SpOx1_000653|dimethyl 2-[3-[8'-(azocane-1-carbonyl)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenylspiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-5-yl]prop-2-ynyl]propanedioate|Dimethyl (3-{8'-(azocane-1-carbonyl)-6'-[2-(2-hydroxyethoxy)phenyl]-1',2-dioxo-3',4'-diphenyl-1,2,3',4',8',8'a-hexahydro-1'H,6'H-spiro[indole-3,7'-pyrrolo[2,1-c][1,4]oxazin]-5-yl}prop-2-yn-1-yl)propanedioate

Molecular Formula	C50H51N3O10
Molecular Weight	853.3574 g/mol
LogP	5.8252
Topological Polar Surface Area	161.01 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	11
Rotatable Bonds	10
Exact Mass	853.3574
Monoisotopic Mass	853.3574
Heavy Atoms	63
Complexity	2390.7307

Chemical Identifiers

CAS Number	5224-40-8
SMILES	COC(=O)C(CC#CC1=CC2=C(C=C1)NC(=O)C23C(C4C(=O)OC(C(N4C3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8)C(=O)OC